1,2-bis(pyridin-2-ylmethylideneamino)guanidine

C13H13N7 — CID 53440400

IUPAC1,2-bis(pyridin-2-ylmethylideneamino)guanidine
SMILESNC(=NN=Cc1ccccn1)NN=Cc1ccccn1
InChIInChI=1S/C13H13N7/c14-13(19-17-9-11-5-1-3-7-15-11)20-18-10-12-6-2-4-8-16-12/h1-10H,(H3,14,19,20)
InChIKeyXEIKZJBHMXHDRL-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.75
Rot. Bonds4

About 1,2-bis(pyridin-2-ylmethylideneamino)guanidine

1,2-bis(pyridin-2-ylmethylideneamino)guanidine (PubChem CID 53440400) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1,2-bis(pyridin-2-ylmethylideneamino)guanidine.

Molecular Properties

Compound Name1,2-bis(pyridin-2-ylmethylideneamino)guanidine
PubChem CID53440400
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name1,2-bis(pyridin-2-ylmethylideneamino)guanidine
SMILESNC(=NN=Cc1ccccn1)NN=Cc1ccccn1
InChIInChI=1S/C13H13N7/c14-13(19-17-9-11-5-1-3-7-15-11)20-18-10-12-6-2-4-8-16-12/h1-10H,(H3,14,19,20)
InChIKeyXEIKZJBHMXHDRL-UHFFFAOYSA-N
XLogP0.75
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidoselenoate
CID 54577616
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
CID 50936105
CID 50936105
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
CID 11979937
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(pyridin-2-ylmethylideneamino)guanidine?
The IUPAC name of 1,2-bis(pyridin-2-ylmethylideneamino)guanidine (CID 53440400) is 1,2-bis(pyridin-2-ylmethylideneamino)guanidine.
What is the SMILES notation for 1,2-bis(pyridin-2-ylmethylideneamino)guanidine?
The canonical SMILES for 1,2-bis(pyridin-2-ylmethylideneamino)guanidine is NC(=NN=Cc1ccccn1)NN=Cc1ccccn1.
What is the InChIKey of 1,2-bis(pyridin-2-ylmethylideneamino)guanidine?
The InChIKey is XEIKZJBHMXHDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-13(19-17-9-11-5-1-3-7-15-11)20-18-10-12-6-2-4-8-16-12/h1-10H,(H3,14,19,20).
What are the key properties of 1,2-bis(pyridin-2-ylmethylideneamino)guanidine?
1,2-bis(pyridin-2-ylmethylideneamino)guanidine has a molecular weight of 267.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(pyridin-2-ylmethylideneamino)guanidine is sourced from PubChem (CID 53440400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).